Metals & Metal Oxides

Metals & Metal Oxides

Accurate Band Gaps of Correlated Transition-Metal Oxides from Hybrid-Functional Calculations

Adsorption and Dissociation of Iodine Molecules on a Zr Surface

Diffusion of Hydrogen in Nickel

Elastic coefficients and moduli for silicon carbide, corundum, and ferric tourmaline

Embedded Atom Method (EAM) Simulations with MedeA

Stability of Alkaline-Earth Hydrides

Structural Properties & Surface Area of Clay Minerals

Structure of an iron oxide (Fe2O3) surface as function of temperature and O2 pressure

Surface Magnetism of Fe(001)

Application Notes

Metals & Metal Oxides